(1R,5R,6R,7S,11R)-7-(methoxymethoxy)-13-methyl-14-oxatetracyclo[9.2.1.01,5.06,11]tetradec-12-ene

C16H24O3 — CID 15751298

IUPAC(1R,5R,6R,7S,11R)-7-(methoxymethoxy)-13-methyl-14-oxatetracyclo[9.2.1.01,5.06,11]tetradec-12-ene
SMILESCOCO[C@H]1CCC[C@@]23C=C(C)[C@]4(CCC[C@@H]4[C@H]12)O3
InChIInChI=1S/C16H24O3/c1-11-9-15-7-4-6-13(18-10-17-2)14(15)12-5-3-8-16(11,12)19-15/h9,12-14H,3-8,10H2,1-2H3/t12-,13+,14-,15-,16+/m1/s1
InChIKeyPLEGHZOLHSYMGB-JKJDWNRSSA-N
MW264.36 g/mol
LogP3.04
Rot. Bonds3

About (1R,5R,6R,7S,11R)-7-(methoxymethoxy)-13-methyl-14-oxatetracyclo[9.2.1.01,5.06,11]tetradec-12-ene

(1R,5R,6R,7S,11R)-7-(methoxymethoxy)-13-methyl-14-oxatetracyclo[9.2.1.01,5.06,11]tetradec-12-ene (PubChem CID 15751298) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is (1R,5R,6R,7S,11R)-7-(methoxymethoxy)-13-methyl-14-oxatetracyclo[9.2.1.01,5.06,11]tetradec-12-ene.

Molecular Properties

Compound Name(1R,5R,6R,7S,11R)-7-(methoxymethoxy)-13-methyl-14-oxatetracyclo[9.2.1.01,5.06,11]tetradec-12-ene
PubChem CID15751298
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name(1R,5R,6R,7S,11R)-7-(methoxymethoxy)-13-methyl-14-oxatetracyclo[9.2.1.01,5.06,11]tetradec-12-ene
SMILESCOCO[C@H]1CCC[C@@]23C=C(C)[C@]4(CCC[C@@H]4[C@H]12)O3
InChIInChI=1S/C16H24O3/c1-11-9-15-7-4-6-13(18-10-17-2)14(15)12-5-3-8-16(11,12)19-15/h9,12-14H,3-8,10H2,1-2H3/t12-,13+,14-,15-,16+/m1/s1
InChIKeyPLEGHZOLHSYMGB-JKJDWNRSSA-N
XLogP3.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,6R,7S,11R)-7-(methoxymethoxy)-13-methyl-14-oxatetracyclo[9.2.1.01,5.06,11]tetradec-12-ene?
The IUPAC name of (1R,5R,6R,7S,11R)-7-(methoxymethoxy)-13-methyl-14-oxatetracyclo[9.2.1.01,5.06,11]tetradec-12-ene (CID 15751298) is (1R,5R,6R,7S,11R)-7-(methoxymethoxy)-13-methyl-14-oxatetracyclo[9.2.1.01,5.06,11]tetradec-12-ene.
What is the SMILES notation for (1R,5R,6R,7S,11R)-7-(methoxymethoxy)-13-methyl-14-oxatetracyclo[9.2.1.01,5.06,11]tetradec-12-ene?
The canonical SMILES for (1R,5R,6R,7S,11R)-7-(methoxymethoxy)-13-methyl-14-oxatetracyclo[9.2.1.01,5.06,11]tetradec-12-ene is COCO[C@H]1CCC[C@@]23C=C(C)[C@]4(CCC[C@@H]4[C@H]12)O3.
What is the InChIKey of (1R,5R,6R,7S,11R)-7-(methoxymethoxy)-13-methyl-14-oxatetracyclo[9.2.1.01,5.06,11]tetradec-12-ene?
The InChIKey is PLEGHZOLHSYMGB-JKJDWNRSSA-N. The full InChI is InChI=1S/C16H24O3/c1-11-9-15-7-4-6-13(18-10-17-2)14(15)12-5-3-8-16(11,12)19-15/h9,12-14H,3-8,10H2,1-2H3/t12-,13+,14-,15-,16+/m1/s1.
What are the key properties of (1R,5R,6R,7S,11R)-7-(methoxymethoxy)-13-methyl-14-oxatetracyclo[9.2.1.01,5.06,11]tetradec-12-ene?
(1R,5R,6R,7S,11R)-7-(methoxymethoxy)-13-methyl-14-oxatetracyclo[9.2.1.01,5.06,11]tetradec-12-ene has a molecular weight of 264.36 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6R,7S,11R)-7-(methoxymethoxy)-13-methyl-14-oxatetracyclo[9.2.1.01,5.06,11]tetradec-12-ene is sourced from PubChem (CID 15751298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).